(2-cyano-4-propyl-phenyl) 4-(4-ethylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-propyl-phenyl) 4-(4-ethylcyclohexyl)benzoate Openeye Name: (2-cyano-4-propyl-phenyl) 4-(4-ethylcyclohexyl)benzoate CAS Name: 4-(4-ethylcyclohexyl)benzoic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 4-(4-ethylcyclohexyl)benzoate Traditional Name: 4-(4-ethylcyclohexyl)benzoic acid (2-cyano-4-propyl-phenyl) ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N

Isomeric SMILES

CCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N

InChI

InChI=1S/C25H29NO2/c1-3-5-19-8-15-24(23(16-19)17-26)28-25(27)22-13-11-21(12-14-22)20-9-6-18(4-2)7-10-20/h8,11-16,18,20H,3-7,9-10H2,1-2H3